CS-1003302
Upadacitinib Impurity 30; Roxadustat Impurity 97
Manufacturer: ChemScene
CAS Number: 2650489-66-8
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₁₈BrNO₃
Molecular Weight
352.22
Synonyms
None
SMILES
O=C(OCC=1C=CC=CC1)N2CC(C(=O)CBr)=C(C2)CC
Tpsa
46.61
Logp
3.3094
H Acceptors
3
H Donors
0
Rotatable Bonds
5
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈BrNO₃
Molecular Weight: 352.22
Synonyms: None
SMILES: O=C(OCC=1C=CC=CC1)N2CC(C(=O)CBr)=C(C2)CC
Tpsa: 46.61
Logp: 3.3094
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈BrNO₃
Molecular Weight:
352.22
Synonyms:
None
SMILES:
O=C(OCC=1C=CC=CC1)N2CC(C(=O)CBr)=C(C2)CC
Tpsa:
46.61
Logp:
3.3094
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₉N
Molecular Weight: 141.25
Synonyms: None
SMILES: N(=C(C)CC(C)C)CCC
Tpsa: 12.36
Logp: 2.9034
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₉N
Molecular Weight:
141.25
Synonyms:
None
SMILES:
N(=C(C)CC(C)C)CCC
Tpsa:
12.36
Logp:
2.9034
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₄N₂O₂
Molecular Weight: 158.20
Synonyms: None
SMILES: O=N(=O)CC1N(CC)CCC1
Tpsa: 46.38
Logp: 0.7474
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₄N₂O₂
Molecular Weight:
158.20
Synonyms:
None
SMILES:
O=N(=O)CC1N(CC)CCC1
Tpsa:
46.38
Logp:
0.7474
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₄₆N₂O₇
Molecular Weight: 522.67
Synonyms: None
SMILES: O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCC(NCC(O)=O)=O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Tpsa: 156.19
Logp: 1.6811
H Acceptors: 6
H Donors: 6
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₄₆N₂O₇
Molecular Weight:
522.67
Synonyms:
None
SMILES:
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCC(NCC(O)=O)=O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Tpsa:
156.19
Logp:
1.6811
H Acceptors:
6
H Donors:
6
Rotatable Bonds:
8